C16
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | N41 | trip | 1.14Å | 1.11Å | |
| C39 | C32 | sing | 1.43Å | 1.28Å | |
| C34 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C32 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C26 | N19 | sing | 1.40Å | 1.36Å | |
| C21 | N19 | sing | 1.35Å | 1.38Å | |
| N19 | C15 | sing | 1.35Å | 1.35Å | |
| O23 | C21 | doub | 1.21Å | 1.30Å | |
| C21 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.41Å | 1.49Å | Aromatic |
| C4 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | O17 | doub | 1.21Å | 1.30Å | |
| C15 | C8 | sing | 1.48Å | 1.47Å | |
| C8 | C10 | doub | 1.39Å | 1.45Å | Aromatic |
| C10 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N41 | C39 | C32 | 164.8° | 180.0° |
| C39 | C32 | C34 | 120.8° | 120.1° |
| C39 | C32 | C30 | 118.6° | 120.1° |
| C34 | C32 | C30 | 120.6° | 119.8° |
| C32 | C34 | C36 | 119.6° | 119.9° |
| C32 | C34 | H34 | 120.2° | 120.0° |
| C32 | C30 | C28 | 118.4° | 119.9° |
| C32 | C30 | H30 | 120.8° | 120.0° |
| C28 | C30 | H30 | 120.8° | 120.1° |
| C30 | C28 | C26 | 123.9° | 120.1° |
| C30 | C28 | H28 | 118.1° | 120.0° |
| C26 | C28 | H28 | 118.1° | 120.0° |
| C28 | C26 | C36 | 115.2° | 120.2° |
| C28 | C26 | N19 | 121.2° | 119.9° |
| C36 | C34 | H34 | 120.2° | 120.0° |
| C34 | C36 | C26 | 122.4° | 120.1° |
| C34 | C36 | H36 | 118.8° | 120.0° |
| C26 | C36 | H36 | 118.8° | 120.0° |
| C36 | C26 | N19 | 123.6° | 119.9° |
| C26 | N19 | C21 | 129.0° | 124.5° |
| C26 | N19 | C15 | 120.7° | 124.5° |
| C21 | N19 | C15 | 110.2° | 111.1° |
| N19 | C21 | O23 | 130.2° | 125.7° |
| N19 | C21 | C6 | 110.7° | 108.6° |
| N19 | C15 | O17 | 128.8° | 125.7° |
| N19 | C15 | C8 | 109.5° | 108.6° |
| O23 | C21 | C6 | 119.1° | 125.8° |
| C21 | C6 | C4 | 134.4° | 134.3° |
| C21 | C6 | C8 | 103.1° | 105.9° |
| C4 | C6 | C8 | 122.6° | 119.8° |
| C6 | C4 | C2 | 116.2° | 119.7° |
| C6 | C4 | H4 | 121.9° | 120.2° |
| C6 | C8 | C15 | 106.5° | 105.9° |
| C6 | C8 | C10 | 119.1° | 119.8° |
| C2 | C4 | H4 | 121.9° | 120.1° |
| C4 | C2 | C1 | 123.4° | 120.4° |
| C4 | C2 | H2 | 118.3° | 119.8° |
| C1 | C2 | H2 | 118.3° | 119.8° |
| C2 | C1 | C10 | 122.4° | 120.5° |
| C2 | C1 | H1 | 118.8° | 119.7° |
| O17 | C15 | C8 | 121.7° | 125.7° |
| C15 | C8 | C10 | 134.5° | 134.3° |
| C8 | C10 | C1 | 116.3° | 119.7° |
| C8 | C10 | C13 | 116.3° | 120.2° |
| C1 | C10 | C13 | 127.4° | 120.1° |
| C10 | C1 | H1 | 118.8° | 119.8° |
| C10 | C13 | H13 | 109.5° | 109.5° |
| C10 | C13 | H13A | 109.4° | 109.5° |
| C10 | C13 | H13B | 109.5° | 109.4° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N41 | C39 | C32 | C34 | 165.5° | 179.8° |
| N41 | C39 | C32 | C30 | 16.9° | 0.1° |
| C39 | C32 | C34 | C30 | 177.5° | 179.7° |
| C39 | C32 | C30 | C28 | 178.4° | 180.0° |
| C39 | C32 | C30 | H30 | 1.6° | 0.0° |
| C39 | C32 | C34 | C36 | 178.6° | 180.0° |
| C39 | C32 | C34 | H34 | 1.4° | 0.1° |
| C34 | C32 | C30 | C28 | 0.8° | 0.2° |
| C34 | C32 | C30 | H30 | 179.2° | 179.8° |
| C32 | C34 | C36 | H34 | 180.0° | 179.9° |
| C32 | C34 | C36 | C26 | 0.0° | 0.0° |
| C32 | C34 | C36 | H36 | 180.0° | 180.0° |
| C32 | C30 | C28 | H30 | 180.0° | 180.0° |
| C32 | C30 | C28 | C26 | 0.5° | 0.0° |
| C32 | C30 | C28 | H28 | 179.5° | 180.0° |
| C30 | C32 | C34 | C36 | 1.1° | 0.2° |
| C30 | C32 | C34 | H34 | 178.9° | 179.7° |
| C30 | C28 | C26 | H28 | 180.0° | 179.9° |
| C30 | C28 | C26 | C36 | 1.5° | 0.3° |
| C30 | C28 | C26 | N19 | 179.2° | 180.0° |
| H30 | C30 | C28 | C26 | 179.5° | 180.0° |
| H30 | C30 | C28 | H28 | 0.5° | 0.0° |
| C28 | C26 | C36 | C34 | 1.2° | 0.3° |
| C28 | C26 | C36 | N19 | 177.6° | 179.7° |
| C28 | C26 | C36 | H36 | 178.8° | 179.7° |
| C28 | C26 | N19 | C21 | 110.6° | 180.0° |
| C28 | C26 | N19 | C15 | 68.4° | 0.4° |
| H28 | C28 | C26 | C36 | 178.6° | 179.7° |
| H28 | C28 | C26 | N19 | 0.9° | 0.1° |
| C34 | C36 | C26 | H36 | 180.0° | 179.9° |
| C34 | C36 | C26 | N19 | 178.8° | 180.0° |
| H34 | C34 | C36 | C26 | 180.0° | 179.9° |
| H34 | C34 | C36 | H36 | 0.0° | 0.1° |
| C36 | C26 | N19 | C21 | 71.9° | 0.3° |
| C36 | C26 | N19 | C15 | 109.1° | 180.0° |
| H36 | C36 | C26 | N19 | 1.2° | 0.1° |
| C26 | N19 | C21 | C15 | 179.1° | 179.7° |
| C26 | N19 | C21 | O23 | 1.1° | 0.1° |
| C26 | N19 | C21 | C6 | 179.7° | 180.0° |
| C26 | N19 | C15 | O17 | 0.5° | 0.1° |
| C26 | N19 | C15 | C8 | 179.8° | 179.9° |
| N19 | C21 | O23 | C6 | 179.1° | 180.0° |
| N19 | C21 | C6 | C4 | 179.8° | 180.0° |
| N19 | C21 | C6 | C8 | 0.3° | 0.1° |
| C21 | N19 | C15 | O17 | 179.8° | 179.7° |
| C21 | N19 | C15 | C8 | 0.6° | 0.4° |
| C15 | N19 | C21 | O23 | 179.8° | 179.7° |
| C15 | N19 | C21 | C6 | 0.6° | 0.3° |
| N19 | C15 | C8 | C6 | 0.4° | 0.3° |
| N19 | C15 | O17 | C8 | 179.6° | 179.9° |
| N19 | C15 | C8 | C10 | 179.7° | 179.9° |
| O23 | C21 | C6 | C4 | 0.5° | 0.0° |
| O23 | C21 | C6 | C8 | 179.6° | 179.9° |
| C21 | C6 | C4 | C8 | 179.9° | 179.9° |
| C21 | C6 | C4 | C2 | 180.0° | 179.9° |
| C21 | C6 | C4 | H4 | 0.0° | 0.1° |
| C21 | C6 | C8 | C15 | 0.0° | 0.1° |
| C21 | C6 | C8 | C10 | 180.0° | 180.0° |
| C6 | C4 | C2 | H4 | 180.0° | 180.0° |
| C6 | C4 | C2 | C1 | 0.1° | 0.0° |
| C6 | C4 | C2 | H2 | 179.9° | 180.0° |
| C4 | C6 | C8 | C15 | 179.9° | 179.8° |
| C4 | C6 | C8 | C10 | 0.1° | 0.0° |
| C8 | C6 | C4 | C2 | 0.1° | 0.0° |
| C8 | C6 | C4 | H4 | 179.9° | 180.0° |
| C6 | C8 | C15 | O17 | 179.9° | 179.8° |
| C6 | C8 | C15 | C10 | 180.0° | 179.8° |
| C6 | C8 | C10 | C1 | 0.0° | 0.0° |
| C6 | C8 | C10 | C13 | 179.3° | 180.0° |
| C4 | C2 | C1 | H2 | 180.0° | 179.9° |
| C4 | C2 | C1 | C10 | 0.1° | 0.0° |
| C4 | C2 | C1 | H1 | 179.9° | 179.9° |
| H4 | C4 | C2 | C1 | 179.9° | 180.0° |
| H4 | C4 | C2 | H2 | 0.1° | 0.1° |
| C2 | C1 | C10 | C8 | 0.0° | 0.0° |
| C2 | C1 | C10 | H1 | 180.0° | 180.0° |
| C2 | C1 | C10 | C13 | 179.1° | 180.0° |
| H2 | C2 | C1 | C10 | 179.9° | 180.0° |
| H2 | C2 | C1 | H1 | 0.1° | 0.0° |
| O17 | C15 | C8 | C10 | 0.0° | 0.0° |
| C15 | C8 | C10 | C1 | 179.9° | 179.8° |
| C15 | C8 | C10 | C13 | 0.8° | 0.2° |
| C8 | C10 | C1 | C13 | 179.2° | 180.0° |
| C8 | C10 | C13 | H13 | 82.3° | 90.0° |
| C8 | C10 | C13 | H13A | 37.8° | 149.9° |
| C8 | C10 | C13 | H13B | 157.8° | 30.0° |
| C8 | C10 | C1 | H1 | 179.9° | 180.0° |
| C1 | C10 | C13 | H13 | 96.9° | 90.0° |
| C1 | C10 | C13 | H13A | 143.0° | 30.1° |
| C1 | C10 | C13 | H13B | 23.0° | 150.0° |
| C10 | C13 | H13 | H13A | 120.0° | 120.1° |
| C10 | C13 | H13 | H13B | 120.0° | 120.0° |
| C10 | C13 | H13A | H13B | 120.0° | 119.9° |
| C13 | C10 | C1 | H1 | 0.9° | 0.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
